(5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine

C19H36FN — CID 166651614

IUPAC(5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine
SMILESC/C=C(C)\C(C)=C(\F)CCCCN(C(C)CC)C(C)CC
InChIInChI=1S/C19H36FN/c1-8-15(4)18(7)19(20)13-11-12-14-21(16(5)9-2)17(6)10-3/h8,16-17H,9-14H2,1-7H3/b15-8-,19-18+
InChIKeyNUBSJGUNCQTZHR-SDHVYIKKSA-N
MW297.50 g/mol
LogP6.27
Rot. Bonds10

About (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine

(5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine (PubChem CID 166651614) has the molecular formula C19H36FN and a molecular weight of 297.50 g/mol. Its IUPAC name is (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine
PubChem CID166651614
Molecular FormulaC19H36FN
Molecular Weight297.50 g/mol
Exact Mass297.28
IUPAC Name(5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine
SMILESC/C=C(C)\C(C)=C(\F)CCCCN(C(C)CC)C(C)CC
InChIInChI=1S/C19H36FN/c1-8-15(4)18(7)19(20)13-11-12-14-21(16(5)9-2)17(6)10-3/h8,16-17H,9-14H2,1-7H3/b15-8-,19-18+
InChIKeyNUBSJGUNCQTZHR-SDHVYIKKSA-N
XLogP6.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine?
The IUPAC name of (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine (CID 166651614) is (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine.
What is the SMILES notation for (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine?
The canonical SMILES for (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine is C/C=C(C)\C(C)=C(\F)CCCCN(C(C)CC)C(C)CC.
What is the InChIKey of (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine?
The InChIKey is NUBSJGUNCQTZHR-SDHVYIKKSA-N. The full InChI is InChI=1S/C19H36FN/c1-8-15(4)18(7)19(20)13-11-12-14-21(16(5)9-2)17(6)10-3/h8,16-17H,9-14H2,1-7H3/b15-8-,19-18+.
What are the key properties of (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine?
(5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine has a molecular weight of 297.50 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-N,N-di(butan-2-yl)-5-fluoro-6,7-dimethylnona-5,7-dien-1-amine is sourced from PubChem (CID 166651614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).